2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine

C24H34F2N2O3 — CID 134492972

IUPAC2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine
SMILESCC(C)OC(F)(F)C#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)ccn1
InChIInChI=1S/C24H34F2N2O3/c1-17(2)30-24(25,26)10-6-18-14-19(7-11-27-18)28-12-8-20(9-13-28)29-21-15-22(16-21)31-23(3,4)5/h7,11,14,17,20-22H,8-9,12-13,15-16H2,1-5H3
InChIKeyOGOLYMAILQYUSZ-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.78
Rot. Bonds6

About 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine

2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine (PubChem CID 134492972) has the molecular formula C24H34F2N2O3 and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine
PubChem CID134492972
Molecular FormulaC24H34F2N2O3
Molecular Weight436.54 g/mol
Exact Mass436.25
IUPAC Name2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine
SMILESCC(C)OC(F)(F)C#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)ccn1
InChIInChI=1S/C24H34F2N2O3/c1-17(2)30-24(25,26)10-6-18-14-19(7-11-27-18)28-12-8-20(9-13-28)29-21-15-22(16-21)31-23(3,4)5/h7,11,14,17,20-22H,8-9,12-13,15-16H2,1-5H3
InChIKeyOGOLYMAILQYUSZ-UHFFFAOYSA-N
XLogP4.78
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine?
The IUPAC name of 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine (CID 134492972) is 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine.
What is the SMILES notation for 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine?
The canonical SMILES for 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine is CC(C)OC(F)(F)C#Cc1cc(N2CCC(OC3CC(OC(C)(C)C)C3)CC2)ccn1.
What is the InChIKey of 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine?
The InChIKey is OGOLYMAILQYUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N2O3/c1-17(2)30-24(25,26)10-6-18-14-19(7-11-27-18)28-12-8-20(9-13-28)29-21-15-22(16-21)31-23(3,4)5/h7,11,14,17,20-22H,8-9,12-13,15-16H2,1-5H3.
What are the key properties of 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine?
2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine has a molecular weight of 436.54 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-3-propan-2-yloxyprop-1-ynyl)-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]pyridine is sourced from PubChem (CID 134492972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).